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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Impacts of divalent cations (Mg 2+ and Ca 2+ ) on PFAS bioaccumulation in freshwater macroinvertebrates representing different foraging modes

Per- and polyfluoroalkyl substances (PFAS) have extensively contaminated freshwater aquatic ecosystems where they can be transported in water and partition to sediment and biota. In this paper, three freshwater benthic macroinvertebrates with different foraging modes were exposed to environmentally relevant concentrations of eight perfluoroalkyl carboxylates (PFCA), three perfluoroalkyl sulfonates (PFSA), and three fluorotelomer sulfonates (FTS) at varying divalent cation concentrations of magnesium (Mg 2+ ) and calcium (Ca 2+ ). Divalent cations can impact PFAS partitioning to solids, especially to sediments, at higher concentrations. Sediment dwelling worms (Lumbriculus variegatus), epibenthic grazing snails (Physella acuta), and sediment-dwelling filter-feeding bivalves (Elliptio complanata) were selected due to their unique foraging modes. Microcosms were composed of synthetic sediment, culture water, macroinvertebrates, and PFAS and consisted of a 28-day exposure period. L. variegatus had significantly higher PFAS bioaccumulation than P. acuta and E. complanata, likely due to higher levels of interactions with and ingestion of the contaminated sediment. “High Mg 2+ ” (7.5 mM Mg 2+ ) and “High Ca 2+ ” (7.5 mM Ca 2+ ) conditions generally had statistically higher bioaccumulation factors (BAF) than the “Reference Condition” (0.2 mM Ca 2+ and 0.2 mM Mg 2+ ) for PFAS with perfluorinated chain lengths greater than eight carbons. Long-chain PFAS dominated the PFAS profiles of the macroinvertebrates for all groups of compounds studied (PFCA, PFSA, and FTS). Furthermore, these results indicate that the study organism has the greatest impact on bioaccumulation, although divalent cation concentration had observable impacts between organisms depending on the environmental conditions. Elevated cation concentrations in the microcosms led to significantly greater bioaccumulation in the test organisms compared to the experimental reference conditions for long-chain PFAS.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Effects of dissolved cations, dissolved organic carbon, and exposure concentrations on per- and polyfluoroalkyl substances bioaccumulation in freshwater algae

Per- and polyfluoroalkyl substances (PFAS) have attracted global attention because of their persistence, toxicity, bioaccumulation potential, and associated adverse effects. As important primary producers, freshwater algae constitute the base of the food web in freshwater aquatic ecosystems. However, the effects of key environmental factors on PFAS uptake and bioaccumulation in freshwater algae have not been thoroughly studied. In this study, three bioaccumulation experiments were conducted to evaluate the influence of dissolved cations, dissolved organic carbon, and exposure concentrations on PFAS bioaccumulation in algae. Among the 14 studied PFAS, seven long-chain PFAS tended to bioaccumulate in algae. Elevated divalent cations (Ca 2+ and Mg 2+ ) and dissolved organic carbon did not significantly change the algal bioconcentration factors (BCFs) of PFAS, suggesting complexity of the interactions among PFAS, environmental factors, and biotic activities. Additionally, increasing exposure concentrations (0.5, 1, 5, and 10 μg/L of each PFAS) increased PFAS concentrations in algae but decreased the BCF values. This indicated that attention should be paid to the application of BCFs in future studies, including ecological risk assessment. Moreover, fluorotelomer sulfonic acids (FTSs) were incompletely recovered, suggesting that biotransformation occurred. Further studies should be conducted to evaluate whether algae play a role in FTSs biotransformation and to determine the mechanisms. In conclusion, studying the impacts of key environmental factors on PFAS bioaccumulation in algae is crucial for understanding the bioaccumulation processes that occur at the lowest trophic level and that eventually affect the dynamics of entire aquatic ecosystems.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2020

Defect evolution in Ni and solid-solution alloys of NiFe and NiFeCoCr under ion irradiation at 16 and 300 K

Single-phase concentrated solid-solution alloys (SP-CSAs) have shown unique chemical complexity at the levels of electrons and atoms, and their defect evolution is expected to be different from conventional dilute alloys. Single crystals of Ni, NiFe and NiFeCoCr are chosen as model systems to understand the chemical complexity on defect formation and damage accumulation in SP-CSAs under ion irradiation. The high-quality crystals were irradiated at 16 and 300 K to different ion fluences, to form irradiated region with little to heavy damages. Additionally, the ion-induced damage was determined using Rutherford backscattering spectrometry technique along a channeling direction (RBS/C) and the level of lattice damage in irradiated Ni and SP-CSAs was quantified from Monte Carlo (MC) simulations. The results are interpreted using the Multi Step Damage Accumulation model to reveal material damage accumulation kinetics. Key findings of the study are that in case of room temperature irradiations the damage level measured for complex alloys at the highest irradiation fluence of 2 × 10 15 cm -2 (~3 dpa) is significantly higher than that obtained for pure nickel samples and suggest two-step damage accumulation process with a defect transformation taking place at a fluence of about 1.5 × 10 15 cm -2 . Furthermore, structural and damage kinetic differences clearly imply that, with increasing degree of chemical complexity and high solid-solution strengthening effects from Ni to NiFe and to NiFeCoCr, the enhanced lattice stiffness resists to randomization of atomic configurations and inhibits the growth of extended defects.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Large magnon-induced anomalous Nernst conductivity in single-crystal MnBi

Thermoelectric modules are a promising approach to energy harvesting and efficient cooling. In addition to the longitudinal Seebeck effect, transverse devices utilizing the anomalous Nernst effect (ANE) have recently attracted interest. For high conversion efficiency, it is required that the material have a large ANE thermoelectric power and low electrical resistance, which lead to the conductivity of the ANE. ANE is usually explained in terms of intrinsic contributions from Berry curvature. Our observations suggest that extrinsic contributions also matter. Studying single-crystal manganese-bismuth (MnBi), we find a high ANE thermopower (~10 μV/K) under 0.6 T at 80 K, and a transverse thermoelectric conductivity of over 40 A/Km. With insight from theoretical calculations, we attribute this large ANE predominantly to a new advective magnon contribution arising from magnon-electron spin-angular momentum transfer. We propose that introducing a large spin-orbit coupling into ferromagnetic materials may enhance the ANE through the extrinsic contribution of magnons.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Compression molding of anisotropic NdFeB bonded magnets in a polycarbonate matrix

Anisotropic bonded Nd 2 Fe 14 B (NdFeB) magnets in a polycarbonate (PC) binder matrix are fabricated using a compression molding process. The weight fractions (w.f.) of NdFeB in PC on the batch mixer are 20, 50, 75, 85 and 95% compared to the twin screw extruder with 20, 50 and 75% respectively. The density of the 95% batch mixed magnets fabricated was 5.34 g/cm 3 and the magnetic properties are, intrinsic coercivity H ci = 942.99 kA/m, remanence B r = 0.86 T, and energy product (BH) max = 120.96 kJ/m 3 . Furthermore, the measured tensile properties are in the range of 27-59 MPa, comparable to that of polyamide (PA), polyphenylene sulfide (PPS) bonded magnets and demonstrating potential for bonded magnet applications. Scanning electron microscopy showed that the onset of failure occurs in the magnetic particle- matrix interface. This study demonstrates that compression additive molding technique can be used to fabricate high performance NdFeB polycarbonate composite magnets with improved mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2026

System-size dependence of charged-particle suppression in ultrarelativistic nucleus-nucleus collisions

High-energy partons lose energy while propagating through the hot, strongly interacting medium produced in ultrarelativistic nucleus-nucleus collisions, leading to a suppression of particle production at high transverse momentum (p T ). The dependence of this energy loss on the size of the colliding nuclear system has yet to be firmly established experimentally. This Letter presents a systematic study of charged-particle suppression across four different nucleus-nucleus collision systems using nuclear modification factors (R AA ) measured by the CMS Collaboration at the CERN LHC. Previous CMS measurements of R AA in oxygen-oxygen, xenon-xenon, and lead-lead collisions are recast with identical p T intervals and are complemented by the first measurement of the charged-particle R AA in neon-neon collisions at $\sqrt{S_{NN}}$ = 5.36 Te V . The neon-neon data correspond to an integrated luminosity of 0.76 nb −1 . The R AA in all collision systems examined show similar qualitative trends as a function of p T , but have a magnitude which is ordered with the nucleon number A. The R AA feature a downward slope at low p T , a local minimum at around 5–7 Ge V , and an upward slope with increasing p T . The R AA are also compared in terms of A 1/3 , which is proportional to the nuclear radius. Models including only initial-state nuclear effects fail to reproduce the observed trends, whereas energy loss models reproduce the trends in the region p T > 9.6 Ge V .

CMS↗
DOE OSTI2022

Exposure pathways and bioaccumulation of per- and polyfluoroalkyl substances in freshwater aquatic ecosystems: Key considerations

We report that due to the bioaccumulative behavior, toxicity, and recalcitrance to degradation, per- and polyfluoroalkyl substances (PFAS) are a focus for many researchers investigating freshwater aquatic ecosystems. PFAS are a diverse set of chemicals that accumulate and transport quite differently in the environment depending on the length of their fluoroalkyl chains and their functional groups. This diversity in PFAS chemical characteristics combined with varying environmental factors also impact the bioaccumulation of these compounds in different organisms. In this review, we evaluate environmental factors (such as organic carbon, proteins, lipids, and dissolved cations) as well as PFAS characteristics (head group, chain-length, and concentration) that contribute to the significant variation seen in the literature of bioaccumulation metrics reported for organisms in aquatic ecosystems. Of the factors evaluated, it was found that PFAS concentration, dissolved organic matter, sediment organic matter, and biotransformation of precursor PFAS tended to significantly impact reported bioaccumulation metrics the most. Based on this review, it is highly suggested that future studies provide sufficient details of important environmental factors, specific organism traits/ behavior, and PFAS concentrations/compounds when reporting on bioaccumulation metrics to further fill data gaps and improve our understanding of PFAS in aquatic ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Catastrophic Charge Density Wave in BaFe 2 Al 9

Charge density waves (CDWs) are modulations of the electron density and the atomic lattice that develop in some crystalline materials at low temperatures. We report an unusual example of a CDW in BaFe 2 Al 9 below 100 K. In contrast to the canonical CDW phase transition, temperature-dependent physical properties of single crystals reveal a first-order phase transition. This is accompanied by a discontinuous change in the size of the crystal lattice. In fact, this large strain has catastrophic consequences for the crystals causing them to physically shatter. Single-crystal X-ray diffraction reveals superlattice peaks in the low-temperature phase signaling the development of a CDW lattice modulation. No similar low-temperature transitions are observed in BaFe 2 Al 9 . Electronic structure calculations provide one hint to the different behavior of these two compounds; the d-orbital states in the Fe compound are not completely filled. Iron compounds are renowned for their magnetism, and partly filled d-states play a key role. Finally, it is therefore surprising that BaFe 2 Al 9 develops a structural modulation at low temperature instead of magnetic order.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Chemical Control of Magnetism in the Kagome Metal CoSn 1 – x In x : Magnetic Order from Nonmagnetic Substitutions

As a two-dimensional structural motif, the kagome net produces many interesting magnetic and electronic properties. In particular, this lattice produces flat electronic bands with a large density of states. When the chemical potential is positioned within these flat bands, electronic instabilities can result. For the kagome metal CoSn, this alignment is not realized, the flat bands are completely filled, and the compound is a Pauli paramagnet. For this study, we have grown crystals and powders of CoSn 1 – x In x and shown that replacing Sn with In moves the chemical potential into the flat band region, as expected from simple electron counting. This is supported by band structure calculations, heat capacity measurements, and angle-resolved photoemission spectroscopy. The increased density of states results in the emergence of antiferromagnetic order evidenced by magnetic susceptibility, Mössbauer spectroscopy, and neutron diffraction data. The Néel temperature reaches a maximum of 32 K. The emergence of magnetic order when introducing a nonmagnetic element into a nonmagnetic kagome metal is striking. This work provides clear evidence that flat bands arising from electronically frustrated lattices in bulk crystals provide a new and powerful way to realize correlated ground states controlled by crystal chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

The Modulated Crystal Structure of K 2 V 3 O 8

Weak lattice distortions can tune exchange pathways and magnetic interactions in square-lattice quantum magnets. K 2 V 3 O 8 is a mixed valence (V 4+ /V 5+ ) fresnoite oxide that exhibits strong spin–lattice coupling at low temperature. Here, we combine single-crystal neutron diffraction (90 K) and laboratory X-ray diffraction (50 K) to solve the low-temperature structure as an orthorhombic (3 + 1)D incommensurately modulated phase in superspace group Cmm2(β,0,1/2)0s0 [No. 196]. What initially appeared as two independent modulation vectors, q 1 = 0.3132(6)[$110$] + 1/2c* and q 2 = 0.3132(6)[$1\bar{10}$] + 1/2c*, are more naturally described as a single one-dimensional modulation wave q = 0.626(1)a* + 1/2c* in a C-centered orthorhombic lattice, related to the parent tetragonal cell by the transformation a + b, −a + b, c. Refinement with a 4-fold rotational twin inherited from the P4bm parent structure solves oxygen-dominated framework distortions and K + displacements. A de Wolff section (t = 0.40) enables a symmetry-mode decomposition, identifying three dominant mm2 (C 2v ) modes: GM3 for framework tilt, A5 for interlayer shear, and Z5 for c-axis breathing. The mode-resolved structure provides a unified, symmetry-based explanation for reported low-temperature Raman and IR anomalies and clarifies the structural origin of the spin–lattice coupling in the S = 1/2 two-dimensional quantum spin compound.

K2V3O8↗
DOE OSTI2025

Unveiling Feedstock Variability: Insights into Corn Stover Conversion - Part I: Physicochemical Properties and Self-Degradation

Transforming agricultural waste into biofuels and bioproducts is crucial to advancing a low-carbon bioeconomy. However, the inherent variability in the composition and quality introduces uncertainties in the conversion efficiency and poses challenges in process development. Through integrating a high-throughput conversion system, material characterization techniques, and advanced data analysis tools, this study investigates the variability of corn stover and its subsequent impacts on carbohydrate conversion. The findings reveal that indoor storage substantially reduces the moisture and ash content and soil contamination, while other properties remain largely unchanged. Self-degradation due to microbial activity during storage decreases the carbohydrate content of corn stover but enhances glucose and xylose yields. A negative correlation is observed between sugar yields and lignin content across samples with varying ash and moisture content. The inhibitory effect of lignin diminishes in self-degraded samples likely due to the disrupted cell wall structure. Although self-degradation slightly increases cellulose crystallinity, no strong correlation was observed between the crystallinity and sugar yield. Hot water pretreatment under mild conditions effectively mitigates inherent variability, consistently improving the sugar yield from corn stover by up to 50%. By elucidating the feedstock variability and its impact on convertibility, these findings offer valuable insights into appropriate feedstock handling and management, highlighting potential strategies to address variability challenges.

09 BIOMASS FUELS↗
DOE OSTI2025

Storage-Induced Collapse of Lignin Macromolecular Structure and Its Impacts on the Biorefinery

Lignin plays a vital role in the economics of biorefineries, serving as a source of process energy and a feedstock for sustainable fuels and chemical production. While understanding lignin’s chemical composition is crucial, emerging evidence suggests that a more comprehensive understanding of its macromolecular structure is critical to explaining its complex behavior in the biorefinery. This study investigated the partial collapse of the lignin network in corn stover feedstock after harvest and storage as a result of the microbial digestion of hemicellulose. Fluorescence microscopy was used to detect the collapse of lignin in terms of lignin’s inter-molecular interaction and the re-orientation of lignin’s chromophores, by the changes in lignin’s fluorescence lifetime, anisotropy, and the number of effective emitters. With minimal sample perturbation, our in-situ microscopic results revealed lignin's coil-globule transition phenomena, which was only previously predicted by molecular dynamics modeling extracted lignin in solvent. This collapse of lignin macromolecular structure was confirmed by results from NMR, IR, Raman, and powder X-ray diffraction. We also investigated the impact of this storage-induced collapse on the downstream biorefinery processes. Our study revealed that the two major approaches for lignin valorization in the lignin-first biorefinery model, namely monomer extraction and milled wood lignin extraction, were negatively impacted by the lignin collapse. As changes during storage are a source of feedstock variability, our study highlights the importance of understanding the effect of feedstock handling on biorefinery operations and economics.

09 BIOMASS FUELS↗
DOE OSTI2024

Simultaneous Development of Antiferromagnetism and Local Symmetry Breaking in a Kagome Magnet (Co 0.45 Fe 0.55 )Sn

CoSn and FeSn, two kagome-lattice metals, have recently attracted significant attention as hosts of electronic flat bands and emergent physical properties. However, current understandings of their physical properties are limited to knowledge of the average crystal structure. Here, we report the Fe-doping induced coemergence of the antiferromagentic (AFM) order and local symmetry breaking in (Co 0.45 Fe 0.55 )Sn. Rietveld analysis on the neutron and synchrotron X-ray diffraction data indicates A-type antiferromagnetic order with the moment pointing perpendicular to the kagome layers, associated with the anomaly in the MSn(1) 2 Sn(2) 4 (M = Co/Fe) octahedral distortion and the lattice constant c. Reverse Monte Carlo (RMC) modeling of the synchrotron X-ray total scattering results captured the subtle local orthorhombic distortion involving off-axis displacements of Sn(2). Our results indicate that the stable hexagonal lattice above T N becomes unstable once the A-type AFM order is formed below T N . Here we argue that the local symmetry breaking has a magnetic origin, since the spatially varied M–Sn(2) bond lengths arise from out-of-plane magnetic exchange coupling J c via the exchange pathway M–Sn(2)–M. Our study provides comprehensive information on the crystal structure in both long-range scale and local scale, unveiling unique coupling between AFM order, octahedral distortion, and hidden local symmetry breaking.

36 MATERIALS SCIENCE↗